4-amino-3-chloro-6-ethyl-5-methylpyridine-2-carboxylic acid

C9H11ClN2O2 — CID 123670406

IUPAC4-amino-3-chloro-6-ethyl-5-methylpyridine-2-carboxylic acid
SMILESCCc1nc(C(=O)O)c(Cl)c(N)c1C
InChIInChI=1S/C9H11ClN2O2/c1-3-5-4(2)7(11)6(10)8(12-5)9(13)14/h3H2,1-2H3,(H2,11,12)(H,13,14)
InChIKeyJZPIZRZFIPIJBL-UHFFFAOYSA-N
MW214.65 g/mol
LogP1.89
Rot. Bonds2

About 4-amino-3-chloro-6-ethyl-5-methylpyridine-2-carboxylic acid

4-amino-3-chloro-6-ethyl-5-methylpyridine-2-carboxylic acid (PubChem CID 123670406) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is 4-amino-3-chloro-6-ethyl-5-methylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-chloro-6-ethyl-5-methylpyridine-2-carboxylic acid
PubChem CID123670406
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Name4-amino-3-chloro-6-ethyl-5-methylpyridine-2-carboxylic acid
SMILESCCc1nc(C(=O)O)c(Cl)c(N)c1C
InChIInChI=1S/C9H11ClN2O2/c1-3-5-4(2)7(11)6(10)8(12-5)9(13)14/h3H2,1-2H3,(H2,11,12)(H,13,14)
InChIKeyJZPIZRZFIPIJBL-UHFFFAOYSA-N
XLogP1.89
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-6-ethyl-5-methylpyridine-2-carboxylic acid?
The IUPAC name of 4-amino-3-chloro-6-ethyl-5-methylpyridine-2-carboxylic acid (CID 123670406) is 4-amino-3-chloro-6-ethyl-5-methylpyridine-2-carboxylic acid.
What is the SMILES notation for 4-amino-3-chloro-6-ethyl-5-methylpyridine-2-carboxylic acid?
The canonical SMILES for 4-amino-3-chloro-6-ethyl-5-methylpyridine-2-carboxylic acid is CCc1nc(C(=O)O)c(Cl)c(N)c1C.
What is the InChIKey of 4-amino-3-chloro-6-ethyl-5-methylpyridine-2-carboxylic acid?
The InChIKey is JZPIZRZFIPIJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c1-3-5-4(2)7(11)6(10)8(12-5)9(13)14/h3H2,1-2H3,(H2,11,12)(H,13,14).
What are the key properties of 4-amino-3-chloro-6-ethyl-5-methylpyridine-2-carboxylic acid?
4-amino-3-chloro-6-ethyl-5-methylpyridine-2-carboxylic acid has a molecular weight of 214.65 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-6-ethyl-5-methylpyridine-2-carboxylic acid is sourced from PubChem (CID 123670406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).